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Cas Database |
| Name |
Dimezone S |
EINECS | 235-920-3 |
| CAS No. | 13047-13-7 | Density | 1.188 g/cm3 |
| PSA | 52.57000 | LogP | 0.93020 |
| Solubility | 7.1 g/L (20 ºC) in water | Melting Point |
122-126 ºC |
| Formula | C11H14 N2 O2 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 206.244 | Flash Point | °C |
| Transport Information | N/A | Appearance | Yellow powder. |
| Safety | S24;S37 | Risk Codes | R22;R43 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
1-Phenyl-4-(hydroxymethyl)-4-methyl-3-pyrazolidone;1-Phenyl-4-methyl-4-(hydroxymethyl)-3-pyrazolidinone;1-Phenyl-4-methyl-4-(hydroxymethyl)-3-pyrazolidone;4-(Hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone;4-(Hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidone;Dimezone S; |
Article Data | 7 |
Dimezone S Chemical Properties
Molecule structure of Dimezone S (CAS NO.13047-13-7):
IUPAC Name: 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
Molecular Weight: 206.24106 [g/mol]
Molecular Formula: C11H14N2O2
Index of Refraction: 1.56
Molar Refractivity: 56.16 cm3
Molar Volume: 173.4 cm3
Surface Tension: 44.2 dyne/cm
Density: 1.188 g/cm3
Melting Point: 122-126 °C
Flash Point: 113 °C
Water Solubility: 7.1 g/L (20 ºC)
XLogP3-AA: 1.5
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 206.105528
MonoIsotopic Mass: 206.105528
Topological Polar Surface Area: 52.6
Heavy Atom Count: 15
Complexity: 251
Canonical SMILES: CC1(CN(NC1=O)C2=CC=CC=C2)CO
InChI: InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)
InChIKey: DSVIHYOAKPVFEH-UHFFFAOYSA-N
EINECS of Dimezone S (CAS NO.13047-13-7): 235-920-3
Dimezone S Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 283mg/kg (283mg/kg) | National Technical Information Service. Vol. OTS0555384, | |
| rat | LD50 | oral | 566mg/kg (566mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0555384, |
Dimezone S Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 43-22-36/37/38
R43:May cause sensitization by skin contact.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37-24-36-26-37/39
S37:Wear suitable gloves.
S24:Avoid contact with skin.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RTECS: UQ8727500
Dimezone S Specification
Dimezone S (CAS NO.13047-13-7) is also named as 1-Phenyl-4-methyl-4-hydroxymethyl-3-pyrazolidone ; 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl- ; 4-(Hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone ; 4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidone ; 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl- 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one . Dimezone S (CAS NO.13047-13-7) is cream to yellow crystalline powder.
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